4-[(4-chlorophenyl)carbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)carbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)carbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid CAS Name: 4-[(4-chloroanilino)-oxomethyl]-5-[2-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)carbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-[(4-chlorophenyl)carbamoyl]-5-[2-(4-methylpiperazino)phenyl]-2-thenoic acid Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3O3S/c1-26-10-12-27(13-11-26)19-5-3-2-4-17(19)21-18(14-20(31-21)23(29)30)22(28)25-16-8-6-15(24)7-9-16/h2-9,14H,10-13H2,1H3,(H,25,28)(H,29,30)